SCHEMBL182737

SCHEMBL182737

COC(=O)c1cc[c]cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
HSD17B10 Q99714 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 4/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CFTR P13569 1/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2443988 0.85 GAA (0.45) KDM4EHSD17B10MAPTGAATSHR
SCHEMBL7355446 0.85 HTT (0.46) KDM4EHSD17B10MAPTGAAMAPK1
SCHEMBL4286291 0.84 KDM4E (0.43) KDM4EHSD17B10MAPTTSHRMAPK1
SCHEMBL182820 0.83 ALDH1A1 (0.49) KDM4EHSD17B10MAPTTSHRPOLB
SCHEMBL1205875 0.83 TDP1 (0.51) KDM4EHSD17B10MAPTGAATSHR
SCHEMBL9827992 0.83 TSHR (0.49) HSD17B10MAPTGAATSHRPOLB
SCHEMBL130031 0.82 TSHR (0.44) KDM4EHSD17B10MAPTGAATSHR
SCHEMBL182862 0.82 PLK1 (0.49) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL21268326 0.82 EPHX2 (0.38) KDM4EHSD17B10TSHRPOLBSLC6A3
SCHEMBL182690 0.81 MKNK1 (0.40) KDM4EGAATSHRPOLBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-06-01 US claimed
EP-3016958-A1 NOVEL GAK MODULATORS Katholieke Universiteit Leuven (BE) 2016-05-11 EP claimed
US-20160122364-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-05-05 US claimed
WO-2016012536-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-28 WO claimed
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
WO-2015001076-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-01-08 WO claimed
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-08-25 US claimed
US-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US claimed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-5756799-A HYDROGENATION CATALYSTS FOR OLEFINS USING RHODIUM CATALYST COMPLEXES THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1998-05-26 US claimed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 KDM4E 649/4885HSD17B10 1268/4885MAPT 4544/4885
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof CNR1, CNR2, OPRM1 KDM4E 1931/4885HSD17B10 2688/4885MAPT 2162/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA KDM4E 1674/4885HSD17B10 1064/4885MAPT 4105/4885
US-20160122364-A1 NOVEL GAK MODULATORS GAK, CAMKK2, GRK3 KDM4E 2604/4885HSD17B10 3906/4885MAPT 616/4885
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof CNR1, CNR2, OPRM1 KDM4E 1931/4885HSD17B10 2688/4885MAPT 2162/4885
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS GAK, IRF3, EIF2AK2 KDM4E 2152/4885HSD17B10 4459/4885MAPT 3237/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.